Exact Mass: 292.157555
Exact Mass Matches: 292.157555
Found 500 metabolites which its exact mass value is equals to given mass value 292.157555,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Carteolol
C16H24N2O3 (292.17868339999995)
Carteolol is only found in individuals that have used or taken this drug. It is a beta-adrenergic antagonist used as an anti-arrhythmia agent, an anti-angina agent, an antihypertensive agent, and an antiglaucoma agent. [PubChem]The primary mechanism of the ocular hypotensive action of carteolol in reducing intraocular pressure is most likely a decrease in aqueous humor production. This process is initiated by the non-selective beta1 and beta2 adrenergic receptor blockade. C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01ED - Beta blocking agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
trichodermin
A tetracyclic spiroepoxide which acts as an antifungal and protein synthesis inhibitor. D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
[6]-Gingerdione
[6]-Gingerdione is found in ginger. [6]-Gingerdione is a constituent of Zingiber officinale (ginger). Constituent of Zingiber officinale (ginger). [6]-Gingerdione is found in herbs and spices and ginger.
16-epivellosimine
16-epivellosimine is a member of the class of compounds known as macroline alkaloids. Macroline alkaloids are alkaloids with a structure that is based on the tetracyclic macroline skeleton. The macroline skeleton arises by scission of the C-21 to N-4 bond of the akuammilan skeleton, and mostly occurs in bisindole alkaloids. 16-epivellosimine is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 16-epivellosimine can be found in a number of food items such as bitter gourd, red raspberry, orange bell pepper, and star anise, which makes 16-epivellosimine a potential biomarker for the consumption of these food products.
SB 206553
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants
Thioperamide
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D002491 - Central Nervous System Agents > D000927 - Anticonvulsants Thioperamide (MR-12842) is a potent, orally available, brain penetrant and selective H3 receptor antagonist with a Ki of 4.3 nM for inhibition of [3H]histamine release. Thioperamide inhibits [3H]histamine synthesis with a Ki of 31 nM[1].
Velosimine
An indole alkaloid that is sarpagan in which the methyl group attached to position 16 has been oxidised to the corresponding aldehyde.
Acetylvalerenolic acid
Acetylvalerenolic acid is found in fats and oils. Acetylvalerenolic acid is a constituent of Valeriana officinalis (valerian) Constituent of Valeriana officinalis (valerian). Acetylvalerenolic acid is found in tea, fats and oils, and herbs and spices. Acetylvalerenolic acid is a sesquiterpenoid.
11,12-Dimethoxydihydrokawain
11,12-Dimethoxydihydrokawain is found in beverages. 11,12-Dimethoxydihydrokawain is a constituent of Piper methysticum (kava). FDA advises against use of kava in food due to potential risk of severe liver damage (2002)
Phenylbutyrylglutamine
C15H20N2O4 (292.14230000000003)
Phenylbutyrylglutamine has been identified as a new metabolite of phenylbutyrate in human plasma and urine. Phenylbutyrate is used in humans for treating inborn errors of ureagenesis, certain forms of cancer, cystic fibrosis and thalassemia. After administration of phenylbutyrate to normal humans, the cumulative urinary excretion of phenylacetate, phenylbutyrate, phenylacetylglutamine and phenylbutyrylglutamine amounts to about half of the dose of phenylbutyrate. [HMDB] Phenylbutyrylglutamine has been identified as a new metabolite of phenylbutyrate in human plasma and urine. Phenylbutyrate is used in humans for treating inborn errors of ureagenesis, certain forms of cancer, cystic fibrosis and thalassemia. After administration of phenylbutyrate to normal humans, the cumulative urinary excretion of phenylacetate, phenylbutyrate, phenylacetylglutamine and phenylbutyrylglutamine amounts to about half of the dose of phenylbutyrate.
Acetylbalchanolide
Acetylbalchanolide is found in herbs and spices. Acetylbalchanolide is a constituent of yarrow (Achillea millefolium). Constituent of yarrow (Achillea millefolium). Acetylbalchanolide is found in herbs and spices.
Isotrichodermin
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes Isotrichodermin is from Fusarium culmorum and Fusarium roseu D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins From Fusarium culmorum and Fusarium roseum
Coriandrone A
Constituent of Coriandrum sativum (coriander). Coriandrone A is found in coriander and herbs and spices. Coriandrone A is found in coriander. Coriandrone A is a constituent of Coriandrum sativum (coriander).
(3beta,6beta)-Furanoeremophilane-3,6-diol 6-acetate
(3beta,6beta)-Furanoeremophilane-3,6-diol 6-acetate is found in giant butterbur. (3beta,6beta)-Furanoeremophilane-3,6-diol 6-acetate is a constituent of Petasites japonicus (sweet coltsfoot) Constituent of Petasites japonicus (sweet coltsfoot). 6-Acetylfuranofukinol is found in giant butterbur and green vegetables.
Fusarochromanone
C15H20N2O4 (292.14230000000003)
Fusarochromanone is found in animal foods. Fusarochromanone is a mycotoxin produced by Fusarium roseum and the cereal fungus Fusarium equiseti (Fusarium graminearum). Affects growth and development of poultry. Mycotoxin production by Fusarium roseum and the cereal fungus Fusarium equiseti (Fusarium graminearum). Affects growth and development of poultry. Fusarochromanone is found in animal foods.
(4E)-1-(3,4-dihydroxy-5-methoxyphenyl)dec-4-en-3-one
Coriandrone B
Constituent of Coriandrum sativum (coriander). Coriandrone B is found in coriander and herbs and spices. Coriandrone B is found in coriander. Coriandrone B is a constituent of Coriandrum sativum (coriander).
(S)-3-Octanol glucoside
(S)-3-Octanol glucoside is found in herbs and spices. (S)-3-Octanol glucoside is a constituent of spearmint (Mentha spicata var. crispa). Constituent of spearmint (Mentha spicata variety crispa). (S)-3-Octanol glucoside is found in herbs and spices.
6-Hydroxyshogaol
6-Hydroxyshogaol is found in herbs and spices. 6-Hydroxyshogaol is a constituent of ginger (Zingiber officinale). Constituent of ginger (Zingiber officinale). 6-Hydroxyshogaol is found in herbs and spices.
9-Acetoxyfukinanolide
9-Acetoxyfukinanolide is found in giant butterbur. 9-Acetoxyfukinanolide is a constituent of Petasites japonicus (sweet coltsfoot) Constituent of Petasites japonicus (sweet coltsfoot). 9-Acetoxyfukinanolide is found in giant butterbur and green vegetables.
Histidylhistidine
Histidylhistidine is a dipeptide composed of two histidine residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Dimethindene
Dimethindene is only found in individuals that have used or taken this drug. It is an antihistamine/anticholinergic used orally and locally as an antipruritic.Dimethindene is a selective histamine H1 antagonist and binds to the histamine H1 receptor. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine. D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents
Mono-(2-ethyl-5-oxohexyl) phthalate
Mono-(2-ethyl-5-oxohexyl) phthalate, also known as 2-{[(2-ethyl-5-oxohexyl)oxy]carbonyl}benzoic acid, mono(2-Ethyl-5-oxohexyl) phthalate or phthalate mono(2-ethyl-5-oxohexyl) ester, is classified as a member of the benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. Mono-(2-ethyl-5-oxohexyl) phthalate is considered to be practically insoluble (in water) and acidic. (ChemoSummarizer). Mono-(2-ethyl-5-oxohexyl) phthalate is a metabolite of mono(2-ethylhexyl) phthalate (MEHP) and a secondary metabolite of di(2-ethylhexyl) phthalate (DEHP).
Blebbistatin
C18H16N2O2 (292.12117159999997)
5-Butyl-5-cycloheptenylbarbituric acid
C16H24N2O3 (292.17868339999995)
Benzoyl L-arginine methyl ester
C14H20N4O3 (292.15353300000004)
Cladosporin
D004791 - Enzyme Inhibitors
Denzimol
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Lerisetron
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent Lerisetron is a potent 5-HT3 antagonists and possess high-affinity binding for the 5-HT3 receptors with pKi value of 9.2. Lerisetron has a potent ability to inhibit the 5-HT-evoked reflex bradycardia in urethane-anesthetized rats[1].
Trichoderonin
11b,13-Dihydrolactucin
11b,13-dihydrolactucin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 11b,13-dihydrolactucin can be found in a number of food items such as endive, chicory, dandelion, and romaine lettuce, which makes 11b,13-dihydrolactucin a potential biomarker for the consumption of these food products.
vellosimine
Vellosimine is a member of the class of compounds known as macroline alkaloids. Macroline alkaloids are alkaloids with a structure that is based on the tetracyclic macroline skeleton. The macroline skeleton arises by scission of the C-21 to N-4 bond of the akuammilan skeleton, and mostly occurs in bisindole alkaloids. Vellosimine is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Vellosimine can be found in a number of food items such as caraway, italian oregano, star anise, and fox grape, which makes vellosimine a potential biomarker for the consumption of these food products.
Curvularin
2-Hydroxy-4-methoxy-7-methyl-7,8,9,10,11,12,13,14-octahydro-6-oxabenzocyclododecen-5-one
Salinipyrone B
A member of the class of 2-pyranones that is 2H-pyran-2-one in which the hydrogens at positions 3, 4, 5 and 6 are replaced by methyl, hydroxy, methyl and (1Z,3Z,5S,6R)-6-hydroxy-3,5-dimethylocta-1,3-dien-1-yl groups, respectively. It is a polyketide isolated from the marine actinomycete Salinispora pacifica.
1alpha-Acetoxy-11beta(H),13-dihydrodouglanin
N-[3-(6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinolin-1-yl)-propyl]-guanidine
C15H24N4O2 (292.18991639999996)
7alpha-Hydroxypodocarp-8(14)-en-13-one-16-oic acid
9beta-Acetoxy-4,5-dehydro-4(15)-dihydrocostic acid
4-methyl-1-[2,4,6-trihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-1-pentanone
6-isopropyl-3-(4-isopropylphenyl)-3,4-dihydroquinazoline
4-Allyl-1,2-diphenyl-3,5-pyrazolidinedione
C18H16N2O2 (292.12117159999997)
3-Methyl-1-morpholinopyrido[1,2-a]benzimidazole-4-carbonitrile
8-(2-hydroxy-3-methoxy-3-methylbutyl)-7-methoxy-1-benzopyran-2-one
1COOH-2But-A7EO3
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Could be alkyl homologue of given structure; Digitised from figure: approximate intensities
(5aR,7S,9aS,9bR)-7-acetoxy-5,5a,6,7,8,9,9a,9b-octahydro-6,6,9a-trimethyl-naphtho-<1,2-c>-furan-1(3H)-one|3-beta-acetoxydrimenin|3beta-acetoxydrimenin
15-nor-1beta,4alpha,14-trihydroxy-13-methoxy-8,11,13-podocarpatriene
3-methoxytanapartholide|3-O-methyl-iso-secotanapartholide|3beta-methoxyisosecotanapartholide|Iso-seco-tanapartholide-3-O-methyl ether
O1-((Xi)-1-methyl-hexyl)-beta-D-glucopyranuronic acid|O1-((Xi)-1-Methyl-hexyl)-beta-D-glucopyranuronsaeure
(+)-7-methoxy-6-(2R-methoxy-3-hydroxy-3-methylbutyl)coumarin
1alpha-hydroxy-9alpha,5beta-epoxy-4,10-dimethyl-6-oxo-7-(1-carbomethoxy-ethyliden)-cyclodeca-7Z,9Z-diene
15-Acetoxy-11betaH-germacra-1(10)E,4E-diene-12,6alpha-olide
1alpha-acetoxyeudesm-4(15)-en-5alpha,6beta,11betaH-12,6-olide
3beta-acetoxygermacra-1(10)E,4E,11(13)-trien-12-oic acid
4-[(2E)-but-2-enoyl]-2-[(1E,3E)-5-hydroxyhexa-1,3-dien-1-yl]-5-methoxy-2-methylfuran-3(2H)-one|penicilliol A
botryosphaerin A|rel-(3aS,5aR,10aS,10bS,10cR)-1,2,3,3a,5a,7,10,10a,10b,10c-decahydro-10a-hydroxy-3a,10b-dimethyl-4H,9H-[2]benzofuro[7,1-fg]isochrome-4,9-dione
4-({[(2R)-2-methyloctyl]oxy}carbonyl)benzoic acid|cotonoate A
15-nor-1beta,4alpha,13,14-tetrahydroxy-8,11,13-podocarpatrien-7-one
4beta-hydroperoxy-9-alpha-methoxy-5alphaH-guaia-1(10),3,11(13)-trien-12,6alpha-olide
Me ester-(1(10)E,4Z,8xi)-8-Hydroxy-1(10),4,7(11)-germacratrien-12,8-olid-15-oic acid
(1aSR,6SR,7RS,7aRS,7bSR)-1a-acetyl-1a,2,4,5,6,7,7a,7b-octahydro-7,7a-dimethyl-2-oxonaphtho[1,2-b]oxiren-6-yl acetate|3beta-(acetyloxy)-6alpha,7alpha-epoxy-11-noreremophil-9(10)-ene-8,11-dione
2alpha-acetoxy-germacra-1(10)E,4E,11(13)-trien-12-oic acid
Me ester-(1(10)E,4Z,6alpha)-15-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olid-14-oic acid|Methyl 15-hydroxygermacra-1(10)E,4Z,11(13)-trien-6alpha,12-olide-14-oic acid
7,8-seco-2,5-dihydroxy-12-acetoxycalam-8-ene|myrracalamene A
9alpha-hydroxy-13-acetyltricho-2(12),10(11)-diene-3-one
3beta-acetoxy-eremophila-1(10),11(13)-dien-12-oic acid
15-acetoxy-eremophila-1(10),11(13)-dien-12-oic acid
O1-(1-isopropyl-2-methyl-propyl)-beta-D-glucopyranuronic acid|O1-(1-Isopropyl-2-methyl-propyl)-beta-D-glucopyranuronsaeure
3-oxo-8alpha,12-dimethoxy-8,12-dihydro-10alphaH-furanoeremophil-1-ene
12-acetoxy-14-hydroxy-5Z-caryophyllen-7-one|13-acetoxy-14-hydroxy-(Z)-5,6-caryophyllen-7-one
(4R,4aR,5S,8aR,9aS)-4-(acetylxy)-4a,5,6,7,8,8a,9,9a-octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one|(6alpha,8alpha)-6-(acetyloxy)eremophil-7(11)-en-12,8-olide
1-Acetoxy-2-isopropenyl-3-methylen-4-(alpha-methyl-butyryloxy)-cyclohexen-(5)|1-Acetoxy-2-isopropenyl-3-methylen-4--cyclohexen-(5)
Ac- 9,10-Dihydro-2-hydroxy-1,6-dimethyl-7-vinylphenanthrene
1beta-acetoxy-eremophila-9,11(13)-dien-12-oic acid
3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dec-3-en-5-one
1-(trans-4-hydroxycinnamoylamino)-3-hydroxy-4-guanidinobutane|p-coumaroyl-3-hydroxyagmatine
C14H20N4O3 (292.15353300000004)
6beta-Acetoxy-10beta-hydroxyfuraneremophilan|6beta-acetoxyfuranoeremophilan-10beta-ol|furanoeremophilane-6beta,10beta-diol 6-O-acetate
4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenyl (2Z)-2-methylbut-2-enoate|nervolan B
Asperentin
A member of the class of isocoumarins that is 6,8-dihydroxy-3,4-dihydro-1H-isochromen-1-one substituted by a [6-methyltetrahydro-2H-pyran-2-yl]methyl group at position 3. It has been isolated from the fungus Chaetomium globosum and Aspergillus flavus. D004791 - Enzyme Inhibitors
3beta-acetoxy-eudesma-4(15),11(13)-dien-12-oic acid
ferulic acid hexan-3-onyl ether|trans-ferulic acid-O-hexan-3-onyl ether
3-O-demethyl-3-epidiatretol|lepistamide B|rel-(3R,6R)-3,6-dihydroxy-3-(2-methylpropyl)-6-(phenylmethyl)piperazine-2,5-dione
C15H20N2O4 (292.14230000000003)
15-acetoxy-4-carboxy-11,11-dimethyl-bicyclogermacren-4E(5),10Z(1)-diene|volvalerenic acid D
3-Benzyl-6-benzylidenepiperazine-2,5-dione
C18H16N2O2 (292.12117159999997)
1beta,8beta-epoxy-2alpha-methoxy-6-oxogermacra-9(10), 7(11)-dien-8,12-olide
(4Z)-1-(2,3,5-trihydroxy-4-methylphenyl)dec-4-en-1-one
6beta-hydroxy-9beta-acetoxy-eudesma-4,11-dien-3-one
(2S,3S,4R,5R)-2,5-epoxy-3,4-dimethyl-8,9,10-trimethoxy-6,11-benzocycloheptan-1-one|gymnothedelignan B
(-)-17,18-dehydroeburnamonine|17,18-dehydro-14,15-dihydroeburnamenin-14-one|17,18-dehydrovincamone|Delta14-vincamone
(1aR,4S,4aR,8aR,9aS)-2,3,4,4a,8a,9-hexahydro-8a-methoxy-4,4a,6-trimethyl-1aH-oxireno[8,8a]naphtho[2,3-b]furan-5,7-dione|1beta,10beta-epoxy-8alpha-methoxy-6-oxoeremophil-7(11)-en-12,8beta-olide
(+)-11,12-didehydroaristoteline|dehydro-9,10 aristoteline
7-methoxy-8-(2-methoxy-3-hydroxy-3-methylbutyl)coumarin
3-<(N-acetyl-L-seryl)amino>-3,6-dideoxy-D-glucose|3-[(N-acetyl-L-seryl)amino]-3,6-dideoxy-D-glucose
(3S*,7R*,8R*,11R*)-3-Acetoxygermacra-1(10)E,4Z-dien-8,12-olide|Ac -(1(10)E,3beta,4Z,8beta,11betaH)-3-Hydroxy-1(10),4-germacradien-12,8-olide
1,4-dimethoxycarbonyl-7-(1-methylethyl)-3,3a,6,7,8,8a-hexahydroazulene|viscoazucine
3beta-acetoxy-7-drimen-12,11-olide|3beta-acetoxycinnamolide|3beta-hydroxycinnamolide acetate|cinnamolide-3beta-acetate
6-Methoxy-7-(2-hydroxy-3,3-dimethylbutoxy)coumarin
1-[2,4-dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl]-2-methyl-1-butanone
3-(5-isopropyl-7-methylene-5,6,7,7a-tetrahydro-3H-pyrrolizin-3-ylmethyl)-indole|Pedunculanin
6alpha-Acetoxy-11,13-dihydro-5,7alphaH,8,11betaH-eudesm-4(15)-en-8,12-olide
3-(5,7-dimethoxy-2,2-dimethyl-chromen-6-yl)propanoic acid
Dihydrovincarpin|Dihydrovincarpine
C18H16N2O2 (292.12117159999997)
1beta-acetoxy-8beta-hydroxyeudesmen-4(15),7(11)-dien-8alpha,12-olide
2,2,6-Trimethyl-4-(4-quinolinyl)-3-azabicyclo[3.3.1]non-6-ene
2,7-Dimethyl-2-(4-methyl-3-pentenyl)-8-chloro-2H-1-benzopyran-5-ol
11-hydroxy-3,8-dioxo-eudesman-1,4-dien-12-oic acid methyl ester
2-(3-Methylene-7-methyl-1-oxo-4,7-epidioxyoctane-1-yl)-1,4-benzenediol
(4S)-13-Acetoxydehydrocurdione|Ac-13-Hydroxydehydrocurdione
(4-methyl-3-oxo-pentyl)-ferulate|<4-methyl-3-oxo-pentyl>-ferulate
8beta-methoxy-eremophil-7(11)-en-6alpha,15;8alpha,12-diolide|8beta-methoxyeremophil-7(11)-en-6alpha,15;8alpha,12-diolide|8beta-methoxyeremophil-7(11)-ene-12,8alpha(4beta,6alpha)-diolide
[4-(1-acetyloxyprop-2-enyl)-2-methoxyphenyl] 2-methylpropanoate
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
8-(2-hydroxy-3-methoxy-3-methylbutyl)-7-methoxychromen-2-one
C17H24O4_2-Propenoic acid, 3-[(1R,4S,7R,7aR)-1-(acetyloxy)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-, (2E)
C17H24O4_Bicyclo[7.2.0]undec-4-en-3-one, 11-[(acetyloxy)methyl]-4-(hydroxymethyl)-11-methyl-8-methylene-, (1R,4Z,9S)
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one
8-(2-hydroxy-3-methoxy-3-methylbutyl)-7-methoxychromen-2-one
[4-(1-acetyloxyprop-2-enyl)-2-methoxyphenyl] 2-methylpropanoate
CARTEOLOL
C16H24N2O3 (292.17868339999995)
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01ED - Beta blocking agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
Phenyl-butyryl-glutamine
C15H20N2O4 (292.14230000000003)
Annotation level-3
Nor-C-fluorocurarine
Origin: Plant; SubCategory_DNP: Monoterpenoid indole alkaloids, Bisindole alkaloids, Indole alkaloids, Curare alkaloids
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based: Match]
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000847919]
8-(2-hydroxy-3-methoxy-3-methylbutyl)-7-methoxychromen-2-one_major
[4-(1-acetyloxyprop-2-enyl)-2-methoxyphenyl] 2-methylpropanoate_major
Thioperamide
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D002491 - Central Nervous System Agents > D000927 - Anticonvulsants Thioperamide (MR-12842) is a potent, orally available, brain penetrant and selective H3 receptor antagonist with a Ki of 4.3 nM for inhibition of [3H]histamine release. Thioperamide inhibits [3H]histamine synthesis with a Ki of 31 nM[1].
(-)-Blebbistatin
C18H16N2O2 (292.12117159999997)
(+)-Blebbistatin
C18H16N2O2 (292.12117159999997)
(±)-Blebbistatin
C18H16N2O2 (292.12117159999997)
dimethindene
D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents
His-his
A dipeptide formed from two L-histidine residues.
TDP-1
C15H20N2O4 (292.14230000000003)
9-Acetoxyfukinanolide
Isotrichodermin
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
6-Acetylfuranofukinol
Acetoxyvalerenic acid
Coriandrone A
Coriandrone B
4-(1-Acetyloxypropen-2-yl-)-2-methoxyphenylisobutyrat
2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate
(2S,5S)-1-(2-(1,3-Dioxolan-2-yl)phenyl)-2,5-diethylphospholane
C17H25O2P (292.15920800000004)
tert-Butyl (3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-ylcarbamate
C16H24N2O3 (292.17868339999995)
TRANS-1-(TERT-BUTOXYCARBONYL)-4-(PYRIDIN-2-YL)PYRROLIDINE-3-CARBOXYLIC ACID
C15H20N2O4 (292.14230000000003)
tert-butyl 4-[3-(hydroxymethyl)phenyl]piperazine-1-carboxylate
C16H24N2O3 (292.17868339999995)
2-(4-Cyclohexylaminomethyl-2-methoxy-phenoxy)-acetamide
C16H24N2O3 (292.17868339999995)
4-(cyclohexylamino)-3-nitro-benzoic acid ethyl ester
C15H20N2O4 (292.14230000000003)
4-(4-N-BOC-PIPERAZINYL)BENZYL ALCOHOL
C16H24N2O3 (292.17868339999995)
2,6-bis[(3-methoxypropyl)amino]-4-methylnicotinonitrile
C15H24N4O2 (292.18991639999996)
N,N-dimethyl-3-(11-methylidene-6H-benzo[c][1]benzazepin-5-yl)propan-1-amine
Octyl alpha-D-glucopyranoside
D013501 - Surface-Active Agents > D003902 - Detergents
(S)-BENZYL (1-(ISOPROPYLAMINO)-3-METHYL-1-OXOBUTAN-2-YL)CARBAMATE
C16H24N2O3 (292.17868339999995)
(2S)-2-Amino-4-methylpentanoic acid - (2S)-2-amino-5-methoxy-5-ox opentanoic acid (1:1) (non-preferred name)
tert-butyl 2,2-difluoro-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
(3R,4S)-1-(tert-Butoxycarbonyl)-4-(pyridin-4-yl)pyrrolidine-3-carboxylic acid
C15H20N2O4 (292.14230000000003)
POLY(((S)-1-(4-NITROPHENYL)-2-PYRROLIDI&
C15H20N2O4 (292.14230000000003)
4-(2-nitro-5-piperazin-1-ylphenyl)morpholine
C14H20N4O3 (292.15353300000004)
2-Fluoro-6-(pyrrolidin-1-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Methyl 2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
N,4-Dimethyl-N-(4-nitrophenyl)-1-piperazineacetamide
C14H20N4O3 (292.15353300000004)
METHENAMINE MANDELATE
C14H20N4O3 (292.15353300000004)
D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids C254 - Anti-Infective Agent > C255 - Urinary Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents
2-(2-ethylhexylaminomethyl)pyridine dihydrochloride
7-O-tert-butyl 3-O-methyl 6,8-dihydro-5H-1,7-naphthyridine-3,7-dicarboxylate
C15H20N2O4 (292.14230000000003)
ethyl 6-(2-cyclopentylethyl)imidazo[2,1-b]thiazole-5-carboxylate
(1-((2-(TRIMETHYLSILYL)ETHOXY)METHYL)-1H-PYRROLO[2,3-B]PYRIDIN-2-YL)BORONIC ACID
6-Tert-Butyl 2-Methyl 7,8-Dihydro-1,6-Naphthyridine-2,6(5H)-Dicarboxylate
C15H20N2O4 (292.14230000000003)
3-[(Dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4H-carbazol-4-one hydrochloride
3-(CYCLOHEXYLCARBAMOYL)-5-NITROPHENYLBORONIC ACID
C13H17BN2O5 (292.12304620000003)
3-(2-METHOXY-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C16H24N2O3 (292.17868339999995)
methyl 3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
4-(3-HYDROXYPHENYL)-1,4-DIAZEPANE, N1-BOC PROTECTED 95TERT-BUTYL 4-(3-HYDROXYPHENYL)PERHYDRO-1,4-DIAZEPINE-1-CARBOXYLATE
C16H24N2O3 (292.17868339999995)
1-Octyl-3-methylimidazolium sulfate
C12H24N2O4S (292.14567040000003)
3-(methyl(2-morpholinoethyl)carbamoyl)benzoic acid
C15H20N2O4 (292.14230000000003)
3-(4-METHOXY-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C16H24N2O3 (292.17868339999995)
3-(3-METHOXY-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C16H24N2O3 (292.17868339999995)
2-(4-N-BOC-PIPERAZINYL)BENZYL ALCOHOL
C16H24N2O3 (292.17868339999995)
4-Fluoro-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
2-methylprop-2-enamide,trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium,chloride
C13H25ClN2O3 (292.15536099999997)
4-O-(2-ethylhexyl) 1-O-methyl benzene-1,4-dicarboxylate
N-ethyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
3-methoxy-4-methoxycarbonylphenylboronic acid pinacol ester
methyl 4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
5-Fluoro-1-triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridine
1-BOC-4-(2-HYDROXYPHENYLAMINO)PIPERIDINE
C16H24N2O3 (292.17868339999995)
(2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid,(1R)-1-phenylethanamine
C16H24N2O3 (292.17868339999995)
4-(2-HYDRAZONO-2-(PYRIDIN-2-YL)ETHYL)-7-METHOXYQUINOLINE
tert-butyl 4-(3,4-diaminophenyl)piperazine-1-carboxylate
C15H24N4O2 (292.18991639999996)
(3S,4S)-TERT-BUTYL 3-(BENZYLAMINO)-4-HYDROXYPYRROLIDINE-1-CARBOXYLATE
C16H24N2O3 (292.17868339999995)
tert-butyl 4-[4-(aminomethyl)pyridin-2-yl]piperazine-1-carboxylate
C15H24N4O2 (292.18991639999996)
(alphaR)-alpha-[[[2-(4-Aminophenyl)ethyl]amino]methyl]benzenemethanol hydrochloride
1H-Pyrrolo[2,3-b]pyridine-5-carboxylicacid,1-[[2-(triMethylsilyl)ethoxy]Methyl]-
TERT-BUTYL 4-(HYDROXYMETHYL)-4-(PYRIDIN-2-YL)PIPERIDINE-1-CARBOXYLATE
C16H24N2O3 (292.17868339999995)
TERT-BUTYL 4-(HYDROXYMETHYL)-4-(PYRIDIN-4-YL)PIPERIDINE-1-CARBOXYLATE
C16H24N2O3 (292.17868339999995)
3-hydroxy-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]propanamide
4-(2-Morpholin-4-yl-phenylcarbamoyl)-butyric acid
C15H20N2O4 (292.14230000000003)
(2,3-DIHYDROBENZO[B][1,4]DIOXIN-2-YL)(4-(2-HYDROXYETHYL)PIPERAZIN-1-YL) METHANONE
C15H20N2O4 (292.14230000000003)
METHYL (2S,4S)-4-(BENZYLOXYCARBONYLAMINO)PIPERIDINE-2-CARBOXYLATE
C15H20N2O4 (292.14230000000003)
1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione
C16H24N2O3 (292.17868339999995)
5-METHYL-1-(3-PYRIDYLCARBAMOYL)-1,2,3,5-TETRAHYDROPYRROLO [2,3-F]INDOLE
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants
trimethyl-(1-trimethylsilyl-3-trimethylsilyloxypropan-2-yl)oxysilane
C12H32O2Si3 (292.17100120000003)
ZD7288
D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents
acetic acid, [2-acetyl-5-[(3-methyl-2-butenyl)oxy]phenoxy]-, methyl ester
3,5:6,7-Di-O-isopropylidene-D-glycero-D-gulo-heptitol
2-{2-[(2S,5S)-2,5-diethyl-1-phospholano]phenyl}1,3-dioxolane, min. 97
C17H25O2P (292.15920800000004)
N,N-Dimethyl-2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
(S)-TERT-BUTYL (1-(3-AMINOPYRIDIN-4-YL)PIPERIDIN-3-YL)CARBAMATE
C15H24N4O2 (292.18991639999996)
(2E)-3-(4-METHOXYPHENYL)-1-(4-METHYLPHENYL)PROP-2-EN-1-ONE
1,3,5,7-tetramethyl-6-phenyl-2,4,8-trioxa-6-phosphaadamantane
tert-Butyl 4-(4-aminophenoxy)piperidine-1-carboxylate
C16H24N2O3 (292.17868339999995)
8-N-BOC-5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-ACETIC ACID
C15H20N2O4 (292.14230000000003)
tert-butyl 3,3-dimethyl-6-nitro-2H-indole-1-carboxylate
C15H20N2O4 (292.14230000000003)
7-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
C15H20N2O4 (292.14230000000003)
1-(3,6-diphenyl-1H-1,2,4,5-tetrazin-2-yl)propan-1-one
tert-butyl 4-(2-aminophenoxy)piperidine-1-carboxylate
C16H24N2O3 (292.17868339999995)
[1-(2-hydroxymethyl-phenyl)-pyrrolidin-3-yl]-carbamic acid tert-butyl ester
C16H24N2O3 (292.17868339999995)
(3r,4r)-3,4-difluoro-1-phenylpyrrolidine
C16H24N2O3 (292.17868339999995)
3-(4-AMINOPHENOXY)PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C16H24N2O3 (292.17868339999995)
TERT-BUTYL 4-((2-AMINOPYRIDIN-3-YL)AMINO)PIPERIDINE-1-CARBOXYLATE
C15H24N4O2 (292.18991639999996)
6-Ethyl-5-methyl-3-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-2-py razinecarbonitrile
Msx-122
C308 - Immunotherapeutic Agent > C63817 - Chemokine Receptor Antagonist > C107589 - CXCR4 Inhibitor
Filaminast
C15H20N2O4 (292.14230000000003)
C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
4-(n-Acetylamino)-3-[n-(2-ethylbutanoylamino)]benzoic acid
C15H20N2O4 (292.14230000000003)
Octyl β-D-glucopyranoside
An beta-D-glucoside in which the anomeric hydrogen of beta-D-glucopyranose is substituted by an octyl group. D013501 - Surface-Active Agents > D003902 - Detergents
Monoisononyl phthalate
A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of isononanol.
16-epivellosimine
An indole alkaloid that is vellosimine in which the carbon bearing the aldehyde function has been epimerised.
5-Butyl-5-cycloheptenylbarbituric acid
C16H24N2O3 (292.17868339999995)
2-[(4,4-Dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
salinipyrone A
A member of the class of 2-pyranones that is 2H-pyran-2-one in which the hydrogens at positions 3, 4, 5 and 6 are replaced by methyl, hydroxy, methyl and (1E,3E,5S,6R)-6-hydroxy-3,5-dimethylocta-1,3-dienyl groups, respectively. It is a polyketide isolated from the marine actinomycete Salinispora pacifica.
1-[2-(1H-indol-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-4-one
Bifluranol
C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen
4-Fluoro-19-nortestosterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
1-(2-(2-Methyl-5-pyridyl)ethyl)-3-propyl-2-methylindole
13,15-Dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
[(1S,2R,11R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2-oxirane]-11-yl] acetate
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
S-(1-hydroxy-3-methylhexan-3-yl)-L-Cys-Gly
C12H24N2O4S (292.14567040000003)
(+-)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one(1+)
C17H26NO3+ (292.19125859999997)
S-[1-(2-hydroxyethyl)-1-methylbutyl]-(l)-cysteinylglycine
C12H24N2O4S (292.14567040000003)
(1S,12S,13S,14S,15E)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carbaldehyde
N-(3-Hydroxy-4-guanidinobutyl)-3-(4-hydroxyphenyl)propenamide
C14H20N4O3 (292.15353300000004)
(5E,8E)-9-(4-chlorophenyl)-7,7-dimethylnona-5,8-dienoic acid
(15E)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carbaldehyde
[3-Carboxy-2-(3-carboxy-2-hydroxybutanoyl)oxypropyl]-trimethylazanium
C12H22NO7+ (292.13962019999997)
[3-Carboxy-2-(3,5-dihydroxy-3-methylpentanoyl)oxypropyl]-trimethylazanium
[3-Carboxy-2-(4-methylsulfanyl-2-oxobutanoyl)oxypropyl]-trimethylazanium
3-O-methyl-isosecotanapartholide
A sesquiterpene lactone that is isosecotanapartholide in which the hydroxy group at position 3 is replaced by a methoxy group. Isolated from Artemisia iwayomogi and Tanacetum cilicicum, it acts as an inhibitor of nitric oxide synthase.
[(1S,5Z,9R,10R)-6-(hydroxymethyl)-10-methyl-2-methylidene-7-oxo-10-bicyclo[7.2.0]undec-5-enyl]methyl acetate
2H-Pyran-2-one, 6-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dihydro-4-methoxy-, (S)-
N-(4,5-dihydrothiazol-2-yl)-3,5-dimethyl-1-adamantanecarboxamide
N-(3-phenyl-2-propen-1-ylidene)-4-(2-pyridinyl)-1-piperazinamine
2-(benzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 14733837
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
N-cyclohexyl-4-(4H-imidazol-4-yl)-1-piperidinecarbothioamide
5-Amino-1-(2-hydroxyethyl)-3-(1-naphthalenylmethyl)-4-pyrazolecarbonitrile
4-[(1-Ethyl-6-methyl-4-pyrazolo[3,4-b]pyridinyl)oxymethyl]benzonitrile
2-[(2-Acetamido-1-oxoethyl)amino]-3-phenylpropanoic acid ethyl ester
C15H20N2O4 (292.14230000000003)
5-(cyclohexylmethyl)-3-thiophen-2-yl-1H-pyridazin-6-one;hydrate
1-(4-Methoxyphenyl)-2-(1-methyl-2-isoquinolin-2-iumyl)ethanone
(3S,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxyheptanoic acid
(3R)-7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxyheptanoic acid
(1R,5S)-3-methylsulfonyl-7-[4-[(E)-prop-1-enyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane
2-[4-[(1E,8E)-deca-1,8-dienyl]-2,5-dioxofuran-3-yl]acetic acid
(E)-3-[(1R,4S,7R,7aR)-1-acetyloxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid
3,4-Dimethyl-1,1-DI(para-tolyl)-1-silacyclopent-3-ene
2-Methyl-3-phenylbutane-1,1-dicarboxylic acid diethyl ester
[1-Carboxy-3-(2-hydroxy-3-propanoyloxypropoxy)propyl]-trimethylazanium
(4beta,12R)-12,13-epoxytrichothec-9-en-4-yl acetate
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
(3beta,6beta)-Furanoeremophilane-3,6-diol 6-acetate
mono(2-Ethyl-5-oxohexyl) phthalate
A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of 2-ethyl-5-oxohexan-1-ol.
Deschloroclozapine
Deschloroclozapine, a metabolite of Clozapine, is a highly potent muscarinic DREADDs agonist. Deschloroclozapine binds to DREADD receptor subtypes hM3Dq and hM4Di with Ki of 6.3 and 4.2 nM, respectively. [11C]-Deschloroclozapine is developed as a promising PET tracer for DREADD imaging[1][2][3].